5UI1
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![BU of 5ui1 by Molmil](/molmil-images/mine/5ui1) | Crystal Structure of Human Protein Phosphatase 5C (PP5C) in complex with a triazole inhibitor | Descriptor: | 5-phenyl-1H-1,2,3-triazole-4-carboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | Authors: | Chattopadhyay, D, Swingle, M.R, Salter, E.A, Banerjee, S, Honkanen, R.E. | Deposit date: | 2017-01-12 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal Structure Human PP5C in Complex with an Inhibitor To Be Published
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6I39
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![BU of 6i39 by Molmil](/molmil-images/mine/6i39) | Crystal structure of v31Pizza6-AYW, a circularly permuted designer protein | Descriptor: | MAGNESIUM ION, v31Pizza6-AYW | Authors: | Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D. | Deposit date: | 2018-11-05 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein. Protein Sci., 2020
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1KYQ
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![BU of 1kyq by Molmil](/molmil-images/mine/1kyq) | Met8p: A bifunctional NAD-dependent dehydrogenase and ferrochelatase involved in siroheme synthesis. | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Siroheme biosynthesis protein MET8 | Authors: | Schubert, H.L, Raux, E, Brindley, A.A, Wilson, K.S, Hill, C.P, Warren, M.J. | Deposit date: | 2002-02-05 | Release date: | 2002-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of Saccharomyces cerevisiae Met8p, a bifunctional dehydrogenase and ferrochelatase. EMBO J., 21, 2002
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4XQ4
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![BU of 4xq4 by Molmil](/molmil-images/mine/4xq4) | X-ray structure analysis of xylanase - N44D | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-19 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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6I5M
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![BU of 6i5m by Molmil](/molmil-images/mine/6i5m) | Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus in complex with GDP and formate ion | Descriptor: | FORMIC ACID, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kravchenko, O, Nikonov, O, Gabdulkhakov, A, Stolboushkina, E, Arkhipova, V, Garber, M, Nikonov, S. | Deposit date: | 2018-11-13 | Release date: | 2019-01-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The third structural switch in the archaeal translation initiation factor 2 (aIF2) molecule and its possible role in the initiation of GTP hydrolysis and the removal of aIF2 from the ribosome. Acta Crystallogr D Struct Biol, 75, 2019
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6I5U
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![BU of 6i5u by Molmil](/molmil-images/mine/6i5u) | |
6URF
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![BU of 6urf by Molmil](/molmil-images/mine/6urf) | Malic enzyme from Mycobacterium tuberculosis | Descriptor: | GLYCEROL, NAD-dependent malic enzyme | Authors: | Cuthbert, B.J, Burley, K.H, Goulding, C.W, Mathews, E.I, Beste, D.J. | Deposit date: | 2019-10-23 | Release date: | 2020-10-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural and Molecular Dynamics of Mycobacterium tuberculosis Malic Enzyme, a Potential Anti-TB Drug Target. Acs Infect Dis., 7, 2021
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6I7F
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![BU of 6i7f by Molmil](/molmil-images/mine/6i7f) | Dehaloperoxidase B from Amphitrite ornata - complex with 2,4-dichlorophenol | Descriptor: | 2,4-dichlorophenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography. Iucrj, 6, 2019
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6I7C
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![BU of 6i7c by Molmil](/molmil-images/mine/6i7c) | Dye type peroxidase Aa from Streptomyces lividans: imidazole complex | Descriptor: | Deferrochelatase/peroxidase, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography. Iucrj, 6, 2019
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6Y3G
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![BU of 6y3g by Molmil](/molmil-images/mine/6y3g) | Crystal structure of phenylalanine tRNA from Escherichia coli | Descriptor: | CALCIUM ION, GLYCEROL, GUANIDINE, ... | Authors: | Bourgeois, G, Mechulam, Y, Schmitt, E. | Deposit date: | 2020-02-18 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis of the interaction between cyclodipeptide synthases and aminoacylated tRNA substrates. Rna, 26, 2020
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1L5S
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![BU of 1l5s by Molmil](/molmil-images/mine/1l5s) | Human liver glycogen phosphorylase complexed with uric acid, N-Acetyl-beta-D-glucopyranosylamine, and CP-403,700 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Glycogen phosphorylase, liver form, ... | Authors: | Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L. | Deposit date: | 2002-03-07 | Release date: | 2002-12-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-activity analysis of the purine binding
site of human liver glycogen phosphorylase. Chem.Biol., 9, 2002
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3LOG
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![BU of 3log by Molmil](/molmil-images/mine/3log) | Crystal structure of MbtI from Mycobacterium tuberculosis | Descriptor: | CARBONATE ION, GLYCEROL, Isochorismate synthase/isochorismate-pyruvate lyase mbtI, ... | Authors: | Bulloch, E.M.M, Lott, J.S, Baker, E.N, Johnston, J.M. | Deposit date: | 2010-02-03 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Inhibition studies of Mycobacterium tuberculosis salicylate synthase (MbtI). Chemmedchem, 5, 2010
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6YB9
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![BU of 6yb9 by Molmil](/molmil-images/mine/6yb9) | Human octameric PAICS in complex with SAICAR, AMP-PNP, and magnesium | Descriptor: | (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Skerlova, J, Unterlass, J, Gottmann, M, Homan, E, Helleday, T, Jemth, A.S, Stenmark, P. | Deposit date: | 2020-03-16 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target. J.Biol.Chem., 295, 2020
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7XA3
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![BU of 7xa3 by Molmil](/molmil-images/mine/7xa3) | Cryo-EM structure of the CCL2 bound CCR2-Gi complex | Descriptor: | C-C motif chemokine 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Shao, Z, Tan, Y, Shen, Q, Yao, B, Hou, L, Qin, J, Xu, P, Mao, C, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Chen, Z, Jiang, Y, Xu, H.E, Ying, S, Ma, H, Zhang, Y, Shen, H. | Deposit date: | 2022-03-17 | Release date: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular insights into ligand recognition and activation of chemokine receptors CCR2 and CCR3. Cell Discov, 8, 2022
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1DT1
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![BU of 1dt1 by Molmil](/molmil-images/mine/1dt1) | THERMUS THERMOPHILUS CYTOCHROME C552 SYNTHESIZED BY ESCHERICHIA COLI | Descriptor: | CYTOCHROME C552, HEME C | Authors: | Fee, J.A, Chen, Y, Hill, M.J, Gomez-Moran, E, Loehr, T, Ai, J, Thony-Meyer, L, Williams, P.A, Stura, E, Sridhar, V, McRee, D.E. | Deposit date: | 2000-01-10 | Release date: | 2000-02-18 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Integrity of thermus thermophilus cytochrome c552 synthesized by Escherichia coli cells expressing the host-specific cytochrome c maturation genes, ccmABCDEFGH: biochemical, spectral, and structural characterization of the recombinant protein. Protein Sci., 9, 2000
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7X9Y
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![BU of 7x9y by Molmil](/molmil-images/mine/7x9y) | Cryo-EM structure of the apo CCR3-Gi complex | Descriptor: | C-C chemokine receptor type 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Shao, Z, Tan, Y, Shen, Q, Yao, B, Hou, L, Qin, J, Xu, P, Mao, C, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Chen, Z, Jiang, Y, Xu, H.E, Ying, S, Ma, H, Zhang, Y, Shen, H. | Deposit date: | 2022-03-16 | Release date: | 2022-08-24 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Molecular insights into ligand recognition and activation of chemokine receptors CCR2 and CCR3. Cell Discov, 8, 2022
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3UOM
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![BU of 3uom by Molmil](/molmil-images/mine/3uom) | Ca2+ complex of Human skeletal calsequestrin | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Sanchez, E.J, Lewis, K.M, Danna, B.R, Nissen, M.S, Kang, C.H. | Deposit date: | 2011-11-16 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | High-capacity Ca2+ Binding of Human Skeletal Calsequestrin. J.Biol.Chem., 287, 2012
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3UPZ
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![BU of 3upz by Molmil](/molmil-images/mine/3upz) | |
7R8R
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![BU of 7r8r by Molmil](/molmil-images/mine/7r8r) | Physachenolide C with Bromodomain (BRD3-BD1) | Descriptor: | Bromodomain-containing protein 3, Physachenolide C | Authors: | Fromme, R, Sivinski, J, Zerio, C, Gunatilaka, A.A.L, Chapman, E. | Deposit date: | 2021-06-27 | Release date: | 2022-09-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Physachenolide C is a Potent, Selective BET Inhibitor. J.Med.Chem., 66, 2023
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5CGT
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![BU of 5cgt by Molmil](/molmil-images/mine/5cgt) | |
5X6I
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![BU of 5x6i by Molmil](/molmil-images/mine/5x6i) | Crystal structure of B. subtilis adenylate kinase variant | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, CALCIUM ION, ... | Authors: | Moon, S, Bae, E. | Deposit date: | 2017-02-22 | Release date: | 2018-02-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and mutational analyses of psychrophilic and mesophilic adenylate kinases highlight the role of hydrophobic interactions in protein thermal stability. Struct Dyn., 6, 2019
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2BAN
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![BU of 2ban by Molmil](/molmil-images/mine/2ban) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R157208 | Descriptor: | 5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-2(1H)-ONE, MANGANESE (II) ION, Reverse transcriptase P51 subunit, ... | Authors: | Das, K, Arnold, E. | Deposit date: | 2005-10-14 | Release date: | 2005-12-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains. J.Med.Chem., 48, 2005
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1L5Q
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![BU of 1l5q by Molmil](/molmil-images/mine/1l5q) | Human liver glycogen phosphorylase a complexed with caffeine, N-Acetyl-beta-D-glucopyranosylamine, and CP-403700 | Descriptor: | CAFFEINE, Glycogen phosphorylase, liver form, ... | Authors: | Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L. | Deposit date: | 2002-03-07 | Release date: | 2002-12-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-activity analysis of the purine binding
site of human liver glycogen phosphorylase. Chem.Biol., 9, 2002
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6Y6T
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![BU of 6y6t by Molmil](/molmil-images/mine/6y6t) | Mouse Galactocerebrosidase complexed with galacto-noeurostegine GNS at pH 4.6 | Descriptor: | (1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Deane, J.E, McLoughlin, J. | Deposit date: | 2020-02-27 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Bicyclic Form of galacto -Noeurostegine Is a Potent Inhibitor of beta-Galactocerebrosidase. Acs Med.Chem.Lett., 12, 2021
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3G2N
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![BU of 3g2n by Molmil](/molmil-images/mine/3g2n) | Crystal structure of N-acylglucosylamine with glycogen phosphorylase | Descriptor: | Glycogen phosphorylase, muscle form, N-(phenylcarbonyl)-beta-D-glucopyranosylamine | Authors: | Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2009-01-31 | Release date: | 2010-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case Tetrahedron: Asymmetry, 20, 2009
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